-
Name
tert-butyl 4-(aminomethyl)-4-methylpiperidine-1-carboxylate
- EINECS
- CAS No. 236406-22-7
- Article Data6
- CAS DataBase
- Density 1.002 g/cm3
- Solubility
- Melting Point
- Formula C12H24N2O2
- Boiling Point 304.8 °C at 760 mmHg
- Molecular Weight 228.335
- Flash Point 138.1 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1-piperid;LogP
- PSA 55.56000
- LogP 2.62050
tert-Butyl 4-(aminomethyl)-4-methylpiperidine-1-carboxylate Specification
The CAS register number of tert-Butyl 4-(aminomethyl)-4-methylpiperidine-1-carboxylate is 236406-22-7. It also can be called as 1-Piperidinecarboxylicacid, 4-(aminomethyl)-4-methyl-, 1,1-dimethylethyl ester and the systematic name about this chemical is tert-butyl 4-(aminomethyl)-4-methylpiperidine-1-carboxylate. The molecular formula about this chemical is C12H24N2O2 and the molecular weight is 228.33.
Physical properties about tert-Butyl 4-(aminomethyl)-4-methylpiperidine-1-carboxylate are: (1)ACD/LogP: 1.48; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 55.56Å2; (10)Index of Refraction: 1.476; (11)Molar Refractivity: 64.28 cm3; (12)Molar Volume: 227.8 cm3; (13)Polarizability: 25.48x10-24cm3; (14)Surface Tension: 35.2 dyne/cm; (15)Enthalpy of Vaporization: 54.52 kJ/mol; (16)Boiling Point: 304.8 °C at 760 mmHg; (17)Vapour Pressure: 0.000855 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCC(C)(CC1)CN
(2)InChI: InChI=1/C12H24N2O2/c1-11(2,3)16-10(15)14-7-5-12(4,9-13)6-8-14/h5-9,13H2,1-4H3
(3)InChIKey: VMTNDQIIDCSDOU-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14-7-5-12(4,9-13)6-8-14/h5-9,13H2,1-4H3
(5)Std. InChIKey: VMTNDQIIDCSDOU-UHFFFAOYSA-N
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